4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid 4-phthalimidobutyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C26H29NO6S/c1-18-11-12-20(17-19(18)2)34(31,32)26(13-5-6-14-26)25(30)33-16-8-7-15-27-23(28)21-9-3-4-10-22(21)24(27)29/h3-4,9-12,17H,5-8,13-16H2,1-2H3